SCHEMBL1809941

SCHEMBL1809941

O=C(c1cncc(Br)c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
HRH3 Q9Y5N1 1/20 0.50
PKM P14618 1/20 0.48
MGLL Q99685 3/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1806520 0.91 ALDH1A1 (0.60) ALDH1A1HTTHRH3PKMMGLL
SCHEMBL2365733 0.89 L3MBTL4 (0.56) L3MBTL4L3MBTL3L3MBTL1ALDH1A1HTT
SCHEMBL1807182 0.87 ALDH1A1 (0.56) ALDH1A1HTTHRH3PKMMGLL
SCHEMBL1809258 0.87 ALDH1A1 (0.56) ALDH1A1HTTHRH3PKMMGLL
SCHEMBL1806568 0.86 ALDH1A1 (0.55) ALDH1A1HTTHRH3PKMMGLL
SCHEMBL1811303 0.85 MGLL (0.57) ALDH1A1HTTHRH3PKMMGLL
SCHEMBL1808994 0.84 ALDH1A1 (0.53) ALDH1A1HTTHRH3PKMMGLL
SCHEMBL1809187 0.82 ALDH1A1 (0.51) ALDH1A1HTTHRH3PKMEPHX2
SCHEMBL1806216 0.82 ALDH1A1 (0.60) ALDH1A1HTTHRH3MGLLEPHX2
SCHEMBL1806630 0.81 HRH3 (0.64) ALDH1A1HTTHRH3MGLLMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B L3MBTL4 4053/4885L3MBTL3 4167/4885L3MBTL1 3351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.